SCHEMBL1889598

SCHEMBL1889598

O=C(O)CC(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 5/20 0.59
RAB9A P51151 1/20 0.59
KCNH2 Q12809 1/20 0.59
HPGD P15428 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CA1 P00915 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
HMGB1 P09429 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
CA14 Q9ULX7 1/20 0.58
NPC1 O15118 3/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL598345 0.89 MEN1 (0.69) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL1548899 0.83 MEN1 (0.74) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL29702370 0.83 MEN1 (0.74) KDM4EMEN1KMT2AMAPTRAB9A
Salicylic Acid SCHEMBL844725 0.83 ALDH1A1 (0.78) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL27633477 0.82 LMNA (0.67) KDM4EMEN1KMT2ARAB9AHPGD
SCHEMBL31589529 0.81 MEN1 (0.56) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10788491 0.81 KDM4E (0.59) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL2240149 0.81 MEN1 (0.56) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL8028698 0.81 CYP19A1 (0.58) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL31211720 0.79 CYP19A1 (0.66) KDM4EMEN1KMT2AMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107176938-A A kind of triketone organic compound and preparation method and application 赵学辉 2017-09-19 CN claimed
CN-107176939-A A kind of new tripodia ketone ligand organic compound and preparation method and application 赵学辉 2017-09-19 CN claimed
JP-54141774-A None JP disclosed
CN-107405337-A Substituted chroman and application method 艾伯维公司 2017-11-28 CN disclosed
CN-107176938-A A kind of triketone organic compound and preparation method and application 赵学辉 2017-09-19 CN disclosed
CN-107176939-A A kind of new tripodia ketone ligand organic compound and preparation method and application 赵学辉 2017-09-19 CN disclosed
CN-107176939-A A kind of new tripodia ketone ligand organic compound and preparation method and application 赵学辉 2017-09-19 CN disclosed
CN-107176938-A A kind of triketone organic compound and preparation method and application 赵学辉 2017-09-19 CN disclosed
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-19 US disclosed
US-7851640-B2 Catalytic enantioselective synthesis of flavanones and chromanones NORTHWESTERN UNIVERSITY (US) 2010-12-14 US disclosed
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-15 US disclosed
WO-2009108392-A2 CATALYTIC ENANTIOSELECTIVE SYNTHESIS OF FLAVANONES AND CHROMANES NORTHWESTERN UNIVERSITY (US) 2009-09-03 WO disclosed
JP-S54141774-A PREPARATION OF 4-HYDROXYCOUMARIN DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1979-11-05 JP disclosed
US-3931523-A Activation neutron detector AMBARDANISHVILI TRISTAN SILOVA 1976-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 KDM4E 1170/4885MEN1 4332/4885KMT2A 2596/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 KDM4E 1170/4885MEN1 4332/4885KMT2A 2596/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.